4,5-dihydro-1,3-oxazole;triazinane

C6H14N4O — CID 175056650

IUPAC4,5-dihydro-1,3-oxazole;triazinane
SMILESC1=NCCO1.C1CNNNC1
InChIInChI=1S/C3H9N3.C3H5NO/c1-2-4-6-5-3-1;1-2-5-3-4-1/h4-6H,1-3H2;3H,1-2H2
InChIKeyOFFBEASKZGTQBO-UHFFFAOYSA-N
MW158.20 g/mol
LogP-0.97
Rot. Bonds

About 4,5-dihydro-1,3-oxazole;triazinane

4,5-dihydro-1,3-oxazole;triazinane (PubChem CID 175056650) has the molecular formula C6H14N4O and a molecular weight of 158.20 g/mol. Its IUPAC name is 4,5-dihydro-1,3-oxazole;triazinane.

Molecular Properties

Compound Name4,5-dihydro-1,3-oxazole;triazinane
PubChem CID175056650
Molecular FormulaC6H14N4O
Molecular Weight158.20 g/mol
Exact Mass158.12
IUPAC Name4,5-dihydro-1,3-oxazole;triazinane
SMILESC1=NCCO1.C1CNNNC1
InChIInChI=1S/C3H9N3.C3H5NO/c1-2-4-6-5-3-1;1-2-5-3-4-1/h4-6H,1-3H2;3H,1-2H2
InChIKeyOFFBEASKZGTQBO-UHFFFAOYSA-N
XLogP-0.97
TPSA57.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 5-0.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,5-dihydro-1,3-oxazole;triazinane?
The IUPAC name of 4,5-dihydro-1,3-oxazole;triazinane (CID 175056650) is 4,5-dihydro-1,3-oxazole;triazinane.
What is the SMILES notation for 4,5-dihydro-1,3-oxazole;triazinane?
The canonical SMILES for 4,5-dihydro-1,3-oxazole;triazinane is C1=NCCO1.C1CNNNC1.
What is the InChIKey of 4,5-dihydro-1,3-oxazole;triazinane?
The InChIKey is OFFBEASKZGTQBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9N3.C3H5NO/c1-2-4-6-5-3-1;1-2-5-3-4-1/h4-6H,1-3H2;3H,1-2H2.
What are the key properties of 4,5-dihydro-1,3-oxazole;triazinane?
4,5-dihydro-1,3-oxazole;triazinane has a molecular weight of 158.20 g/mol, XLogP of -0.97, 0 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dihydro-1,3-oxazole;triazinane is sourced from PubChem (CID 175056650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).